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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.4
BDBM50055752

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055752
PNG
(2-(1-Benzyl-2-cyclopropyl-5-methoxy-1H-indol-3-yl)...)
Show SMILES COc1ccc2n(Cc3ccccc3)c(C3CC3)c(CC(N)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-25-16-9-10-19-17(11-16)18(12-20(22)24)21(15-7-8-15)23(19)13-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H2,22,24)
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MMDB

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Similars

Article
PubMed
n/an/a 336n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay


J Med Chem 39: 5119-36 (1997)


Article DOI: 10.1021/jm960485v
BindingDB Entry DOI: 10.7270/Q2542MQ5
More data for this
Ligand-Target Pair